4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide

C18H17N3O3 — CID 2571476

IUPAC4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H17N3O3/c1-2-13-5-9-16(10-6-13)24-12-17(22)20-21-18(23)15-7-3-14(11-19)4-8-15/h3-10H,2,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyOXDGQZVWVCVMRZ-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.96
Rot. Bonds5

About 4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide

4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide (PubChem CID 2571476) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
PubChem CID2571476
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H17N3O3/c1-2-13-5-9-16(10-6-13)24-12-17(22)20-21-18(23)15-7-3-14(11-19)4-8-15/h3-10H,2,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyOXDGQZVWVCVMRZ-UHFFFAOYSA-N
XLogP1.96
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 78780603
N'-[2-(4-ethylphenoxy)acetyl]-4-(trifluoromethoxy)benzohydrazide
CID 2090675
N'-[2-(4-ethylphenoxy)acetyl]-4-(2-phenoxyethoxy)benzohydrazide
CID 4952907
N'-[2-(4-cyanophenoxy)propanoyl]-4-ethylbenzohydrazide
CID 78780605
2-(4-cyanophenoxy)-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]acetamide
CID 9316462
N'-[2-(4-ethoxyphenyl)acetyl]-4-ethylbenzohydrazide
CID 78780592
ethyl N-[[2-(4-cyanophenoxy)acetyl]amino]carbamate
CID 7978445
N'-[2-(4-ethylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955139
1-N',6-N'-bis[2-(4-ethylphenoxy)acetyl]hexanedihydrazide
CID 3385883
4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
CID 3311747
2-(4-cyanophenoxy)ethyl 2-(4-ethylphenoxy)acetate
CID 30046988
N'-[2-(4-cyanophenoxy)acetyl]-2-methylpropanehydrazide
CID 24672619

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide (CID 2571476) is 4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide is CCc1ccc(OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide?
The InChIKey is OXDGQZVWVCVMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-2-13-5-9-16(10-6-13)24-12-17(22)20-21-18(23)15-7-3-14(11-19)4-8-15/h3-10H,2,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide?
4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide has a molecular weight of 323.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 2571476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).